1-(2-methoxyethyl)-3-[[6-(4-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea

C17H19N5OS2 — CID 10237271

IUPAC1-(2-methoxyethyl)-3-[[6-(4-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea
SMILESCOCCNC(=S)NNc1ncnc2cc(-c3ccc(C)cc3)sc12
InChIInChI=1S/C17H19N5OS2/c1-11-3-5-12(6-4-11)14-9-13-15(25-14)16(20-10-19-13)21-22-17(24)18-7-8-23-2/h3-6,9-10H,7-8H2,1-2H3,(H2,18,22,24)(H,19,20,21)
InChIKeyRHULZYABMJXKTM-UHFFFAOYSA-N
MW373.51 g/mol
LogP3.10
Rot. Bonds6

About 1-(2-methoxyethyl)-3-[[6-(4-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea

1-(2-methoxyethyl)-3-[[6-(4-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea (PubChem CID 10237271) has the molecular formula C17H19N5OS2 and a molecular weight of 373.51 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[[6-(4-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[[6-(4-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea
PubChem CID10237271
Molecular FormulaC17H19N5OS2
Molecular Weight373.51 g/mol
Exact Mass373.10
IUPAC Name1-(2-methoxyethyl)-3-[[6-(4-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea
SMILESCOCCNC(=S)NNc1ncnc2cc(-c3ccc(C)cc3)sc12
InChIInChI=1S/C17H19N5OS2/c1-11-3-5-12(6-4-11)14-9-13-15(25-14)16(20-10-19-13)21-22-17(24)18-7-8-23-2/h3-6,9-10H,7-8H2,1-2H3,(H2,18,22,24)(H,19,20,21)
InChIKeyRHULZYABMJXKTM-UHFFFAOYSA-N
XLogP3.10
TPSA71.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.51
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-(2-methoxyethyl)-3-[[6-(4-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[[6-(4-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea?
The IUPAC name of 1-(2-methoxyethyl)-3-[[6-(4-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea (CID 10237271) is 1-(2-methoxyethyl)-3-[[6-(4-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[[6-(4-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea?
The canonical SMILES for 1-(2-methoxyethyl)-3-[[6-(4-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea is COCCNC(=S)NNc1ncnc2cc(-c3ccc(C)cc3)sc12.
What is the InChIKey of 1-(2-methoxyethyl)-3-[[6-(4-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea?
The InChIKey is RHULZYABMJXKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS2/c1-11-3-5-12(6-4-11)14-9-13-15(25-14)16(20-10-19-13)21-22-17(24)18-7-8-23-2/h3-6,9-10H,7-8H2,1-2H3,(H2,18,22,24)(H,19,20,21).
What are the key properties of 1-(2-methoxyethyl)-3-[[6-(4-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea?
1-(2-methoxyethyl)-3-[[6-(4-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea has a molecular weight of 373.51 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[[6-(4-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea is sourced from PubChem (CID 10237271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).